Information card for entry 7002570

Structure parameters

• Formula: C35 H53 Al O2 S2
• Calculated formula: C35 H53 Al O2 S2
• SMILES: [S]12[Al]3([S]([C@@H]4[C@@H]2CCCC4)c2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)(Oc2c1cc(cc2C(C)(C)C)C(C)(C)C)C
• Title of publication: Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity
• Authors of publication: Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9033 - 9042
• a: 15.0614 ± 0.0006 Å
• b: 15.0614 ± 0.0006 Å
• c: 26.4682 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5199.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No